CID 26903

N,n-diisopropyltryptamine

Structural Information

Molecular Formula
C16H24N2
SMILES
CC(C)N(CCC1=CNC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C16H24N2/c1-12(2)18(13(3)4)10-9-14-11-17-16-8-6-5-7-15(14)16/h5-8,11-13,17H,9-10H2,1-4H3
InChIKey
ZRVAAGAZUWXRIP-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

425
Patents

244.19395 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 161.4
[M+Na]+ 267.183168 167.4
[M-H]- 243.186674 164.4
[M+NH4]+ 262.227773 180.2
[M+K]+ 283.157108 164.2
[M+H-H2O]+ 227.191210 154.1
[M+HCOO]- 289.192151 182.4
[M+CH3COO]- 303.207801 200.7
[M+Na-2H]- 265.168616 163.5
[M]+ 244.19340142 163.1
[M]- 244.19449858 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe